N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline

C16H26N2 — CID 43569244

IUPACN-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
SMILESCCNC(C)c1ccccc1N(C)C(C)C1CC1
InChIInChI=1S/C16H26N2/c1-5-17-12(2)15-8-6-7-9-16(15)18(4)13(3)14-10-11-14/h6-9,12-14,17H,5,10-11H2,1-4H3
InChIKeyQQDOGGGPAGMGBQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.59
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline

N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline (PubChem CID 43569244) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
PubChem CID43569244
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
SMILESCCNC(C)c1ccccc1N(C)C(C)C1CC1
InChIInChI=1S/C16H26N2/c1-5-17-12(2)15-8-6-7-9-16(15)18(4)13(3)14-10-11-14/h6-9,12-14,17H,5,10-11H2,1-4H3
InChIKeyQQDOGGGPAGMGBQ-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
CID 43569241
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
N-(1-cyclopropylethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 43569387
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
CID 102632638
2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275924
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 105415203
N-ethyl-2-[1-(ethylamino)ethyl]-N-phenylaniline
CID 43284278
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
2-[1-cyclopropylethyl(methyl)amino]benzonitrile
CID 43420456
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline?
The IUPAC name of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline (CID 43569244) is N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline is CCNC(C)c1ccccc1N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline?
The InChIKey is QQDOGGGPAGMGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-17-12(2)15-8-6-7-9-16(15)18(4)13(3)14-10-11-14/h6-9,12-14,17H,5,10-11H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline?
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline is sourced from PubChem (CID 43569244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).